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P9B
P9B
表記:4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
組成式:C13 H8 F5 N3 O3 S
SMILES:O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)cc2
InChi:InChI=1S/C13H8F5N3O3S/c14-7-8(15)10(17)12(11(18)9(7)16)21-13(22)20-5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)(H2,20,21,22)
定義日:2010-05-26
最終更新日:2011-06-04
識別子（ID）:4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
XNZ
XNZ
表記:(11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
組成式:C30 H29 Cl N2 O4
SMILES:Clc2cc(OCc1ccccc1)ccc2C4C5=C(Nc3c(cccc3O)N4C(=O)C)CC(CC5=O)(C)C
InChi:InChI=1S/C30H29ClN2O4/c1-18(34)33-24-10-7-11-25(35)28(24)32-23-15-30(2,3)16-26(36)27(23)29(33)21-13-12-20(14-22(21)31)37-17-19-8-5-4-6-9-19/h4-14,29,32,35H,15-17H2,1-3H3/t29-/m0/s1
定義日:2009-03-23
最終更新日:2011-06-04
識別子（ID）:(11R)-10-acetyl-11-[4-(benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TQI
TQI
表記:N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN
組成式:C18 H14 Cl F3 N2 O4 S
SMILES:OC(=O)[CH](Cc1c[nH]c2ccccc12)N[S](=O)(=O)c3ccc(Cl)c(c3)C(F)(F)F
InChi:InChI=1S/C18H14ClF3N2O4S/c19-14-6-5-11(8-13(14)18(20,21)22)29(27,28)24-16(17(25)26)7-10-9-23-15-4-2-1-3-12(10)15/h1-6,8-9,16,23-24H,7H2,(H,25,26)/t16-/m0/s1
定義日:2011-01-20
最終更新日:2011-06-04
識別子（ID）:(2S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
X89
X89
表記:1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
組成式:C18 H14 Cl4 N2 O
SMILES:Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2Cl)Cn3ccnc3
InChi:InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m0/s1
定義日:2010-09-29
最終更新日:2011-06-04
識別子（ID）:1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
VSV
VSV
表記:N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID
組成式:C23 H21 N3 O7 S
SMILES:O=C1C(SC(=O)N1)=Cc3ccc(NCc2cc(C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3
InChi:InChI=1S/C23H21N3O7S/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-11-/t17-/m1/s1
定義日:2010-02-10
最終更新日:2011-06-04
識別子（ID）:N-({3-[({4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-D-glutamic acid
VDO
VDO
表記:[(1R,2R,3S,4S,5S)-2,3,4-TRIHYDROXY-5-{[(1S,4R,5S,6S)-4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}CYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATE
組成式:C14 H26 N O11 P
SMILES:O=P(O)(O)OCC2C(O)C(O)C(O)C(NC1C=C(CO)C(O)C(O)C1O)C2
InChi:InChI=1S/C14H26NO11P/c16-3-5-1-7(11(19)13(21)9(5)17)15-8-2-6(4-26-27(23,24)25)10(18)14(22)12(8)20/h1,6-22H,2-4H2,(H2,23,24,25)/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
定義日:2009-09-25
最終更新日:2011-06-04
識別子（ID）:[(1R,2R,3S,4S,5S)-2,3,4-trihydroxy-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl]methyl dihydrogen phosphate
U55
U55
表記:4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE
組成式:C10 H11 N5 O2 S
SMILES:O=S(=O)(N)c2ccc(Nc1ncnc(N)c1)cc2
InChi:InChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
定義日:2001-08-21
最終更新日:2011-06-04
識別子（ID）:4-[(6-aminopyrimidin-4-yl)amino]benzenesulfonamide
NZU
NZU
表記:6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
組成式:C17 H19 N7 O2 S
SMILES:O=S(=O)(C)CCCNc1nc(nc2c1cnn2C)c3cccc4nncc34
InChi:InChI=1S/C17H19N7O2S/c1-24-17-13(10-20-24)15(18-7-4-8-27(2,25)26)21-16(22-17)11-5-3-6-14-12(11)9-19-23-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,19,23)(H,18,21,22)
定義日:2010-07-21
最終更新日:2011-06-04
識別子（ID）:6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
NLA
NLA
表記:NAPHTHALEN-1-YL-ACETIC ACID
組成式:C12 H10 O2
SMILES:O=C(O)Cc2cccc1ccccc12
InChi:InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
定義日:2002-05-22
最終更新日:2011-06-04
識別子（ID）:naphthalen-1-ylacetic acid
KC6
KC6
表記:4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
組成式:C14 H14 N4 O3
SMILES:O=C(O)c2ccnc(c1nccc(C(=O)NCCN)c1)c2
InChi:InChI=1S/C14H14N4O3/c15-3-6-18-13(19)9-1-4-16-11(7-9)12-8-10(14(20)21)2-5-17-12/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)(H,20,21)
定義日:2010-11-09
最終更新日:2011-06-04
識別子（ID）:4'-[(2-aminoethyl)carbamoyl]-2,2'-bipyridine-4-carboxylic acid
Z74
Z74
表記:N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
組成式:C34 H42 F2 N4 O5 S
SMILES:O=S(=O)(c1ccccc1)N2CC(NCC2)C(O)C(NC(=O)c3cc(cc(C(=O)N(CCC)CCC)c3)C)Cc4cc(F)cc(F)c4
InChi:InChI=1S/C34H42F2N4O5S/c1-4-12-39(13-5-2)34(43)26-16-23(3)15-25(20-26)33(42)38-30(19-24-17-27(35)21-28(36)18-24)32(41)31-22-40(14-11-37-31)46(44,45)29-9-7-6-8-10-29/h6-10,15-18,20-21,30-32,37,41H,4-5,11-14,19,22H2,1-3H3,(H,38,42)/t30-,31+,32-/m0/s1
定義日:2010-02-26
最終更新日:2011-06-04
識別子（ID）:N'-{(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]propan-2-yl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
UKA
UKA
表記:6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
組成式:C40 H47 N11 O6
SMILES:O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c3nc(c4ncn(c4n3)C5OC(C(=O)NCC)C(O)C5O)NCC(c6ccccc6)c7ccccc7
InChi:InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1
定義日:2011-01-12
最終更新日:2011-06-04
識別子（ID）:6-[(2,2-diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamide (non-preferred name)
Z75
Z75
表記:N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
組成式:C35 H44 F2 N4 O3
SMILES:CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CCN3)Cc4ccccc4
InChi:InChI=1S/C35H44F2N4O3/c1-4-12-41(13-5-2)35(44)28-16-24(3)15-27(20-28)34(43)39-31(19-26-17-29(36)21-30(37)18-26)33(42)32-23-40(14-11-38-32)22-25-9-7-6-8-10-25/h6-10,15-18,20-21,31-33,38,42H,4-5,11-14,19,22-23H2,1-3H3,(H,39,43)/t31-,32+,33-/m0/s1
定義日:2010-02-26
最終更新日:2011-06-04
識別子（ID）:N1-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(phenylmethyl)piperazin-2-yl]propan-2-yl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide
Z76
Z76
表記:N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
組成式:C35 H42 F2 N4 O6 S
SMILES:COC[CH]1CCCN1C(=O)c2cc(C)cc(c2)C(=O)N[CH](Cc3cc(F)cc(F)c3)[CH](O)[CH]4CN(CCN4)[S](=O)(=O)c5cccc(C)c5
InChi:InChI=1S/C35H42F2N4O6S/c1-22-6-4-8-30(14-22)48(45,46)40-11-9-38-32(20-40)33(42)31(17-24-15-27(36)19-28(37)16-24)39-34(43)25-12-23(2)13-26(18-25)35(44)41-10-5-7-29(41)21-47-3/h4,6,8,12-16,18-19,29,31-33,38,42H,5,7,9-11,17,20-21H2,1-3H3,(H,39,43)/t29-,31+,32-,33+/m1/s1
定義日:2010-02-26
最終更新日:2011-06-04
識別子（ID）:N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4S)-4-(3-methylphenyl)sulfonylpiperazin-2-yl]propan-2-yl]-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl-5-methyl-benzamide
TC1
TC1
表記:3-(5-PHOSPHO-2-DEOXY-BETA-D-RIBOFURANOSYL)-2-OXO-1,3-DIAZA-PHENOTHIAZINE
組成式:C15 H16 N3 O7 P S
SMILES:O=P(O)(O)OCC4OC(N2C(=O)N=C1Nc3c(SC1=C2)cccc3)CC4O
InChi:InChI=1S/C15H16N3O7PS/c19-9-5-13(25-10(9)7-24-26(21,22)23)18-6-12-14(17-15(18)20)16-8-3-1-2-4-11(8)27-12/h1-4,6,9-10,13,19H,5,7H2,(H,16,17,20)(H2,21,22,23)/t9-,10+,13+/m0/s1
定義日:2004-07-18
最終更新日:2011-06-04
識別子（ID）:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzothiazin-2(10H)-one
TQP
TQP
表記:(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C24 H35 N4 O19 P3
SMILES:O=P(OC2OC(C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O
InChi:InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)18(20(31)12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18+,20-,21-,23-/m1/s1
定義日:2009-01-12
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
TC4
TC4
表記:BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLCARBAMOYLOXY-PROPYL ESTER GROUP
組成式:C17 H35 N2 O6 P
SMILES:O=P(OCC(OC(=O)NCCCC)COC(=O)NCCCC)CCCC
InChi:InChI=1S/C17H35N2O6P/c1-4-7-10-18-16(20)23-13-15(14-24-26(22)12-9-6-3)25-17(21)19-11-8-5-2/h15,26H,4-14H2,1-3H3,(H,18,20)(H,19,21)/t15-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R)-2,3-bis[(butylcarbamoyl)oxy]propyl (S)-butylphosphinate
SX1
SX1
表記:2-amino-5-bromobenzoic acid
組成式:C7 H6 Br N O2
SMILES:Brc1cc(C(=O)O)c(N)cc1
InChi:InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:2-amino-5-bromobenzoic acid
Z79
Z79
表記:N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
組成式:C9 H12 N2 O5 S
SMILES:COc1ccc(cc1)[S](=O)(=O)NCC(=O)NO
InChi:InChI=1S/C9H12N2O5S/c1-16-7-2-4-8(5-3-7)17(14,15)10-6-9(12)11-13/h2-5,10,13H,6H2,1H3,(H,11,12)
定義日:2010-02-25
最終更新日:2011-06-04
識別子（ID）:N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]ethanamide
SX2
SX2
表記:4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid
組成式:C9 H9 Br N2 O3
SMILES:O=C(Nc1ncc(Br)cc1)CCC(=O)O
InChi:InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid
TQT
TQT
表記:6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE
組成式:C17 H33 N5
SMILES:NC2NC1CCC(CC1C(N)N2)CN4C3CCCCC3CC4
InChi:InChI=1S/C17H33N5/c18-16-13-9-11(5-6-14(13)20-17(19)21-16)10-22-8-7-12-3-1-2-4-15(12)22/h11-17,20-21H,1-10,18-19H2/t11-,12+,13+,14-,15-,16+,17+/m0/s1
定義日:2004-01-20
最終更新日:2011-06-04
識別子（ID）:(2R,4R,4aR,6S,8aS)-6-[(3aR,7aS)-octahydro-1H-indol-1-ylmethyl]decahydroquinazoline-2,4-diamine
SX3
SX3
表記:4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
組成式:C14 H19 Br N2 O
SMILES:O=C(c1cc(Br)ccc1N)N2CC(CC(C)C2)C
InChi:InChI=1S/C14H19BrN2O/c1-9-5-10(2)8-17(7-9)14(18)12-6-11(15)3-4-13(12)16/h3-4,6,9-10H,5,7-8,16H2,1-2H3/t9-,10+
定義日:2008-03-13
最終更新日:2011-06-04
識別子（ID）:4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
S38
S38
表記:4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
組成式:C17 H14 N2 O
SMILES:O=C(NC2CC2c1ccccc1)c3ccc(C#N)cc3
InChi:InChI=1S/C17H14N2O/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10H2,(H,19,20)/t15-,16+/m1/s1
定義日:2010-09-27
最終更新日:2011-06-04
識別子（ID）:4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
POB
POB
表記:2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID
組成式:C6 H15 N O8 P2
SMILES:O=P(O)(OP(=O)(OC(C(=O)O)CC)C(N)C)O
InChi:InChI=1S/C6H15NO8P2/c1-3-5(6(8)9)14-16(10,4(2)7)15-17(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5+,16+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R)-2-{[(R)-[(1S)-1-aminoethyl](phosphonooxy)phosphoryl]oxy}butanoic acid
TC7
TC7
表記:2,4,5-trichlorophenol
組成式:C6 H3 Cl3 O
SMILES:Clc1cc(O)c(Cl)cc1Cl
InChi:InChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
定義日:2007-09-20
最終更新日:2011-06-04
識別子（ID）:2,4,5-trichlorophenol

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件を2024-08-07に公開中

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